2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one

C17H13BrO5 — CID 71735018

IUPAC2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
SMILESCOc1cc(Br)cc(-c2oc3ccccc3c(=O)c2O)c1OC
InChIInChI=1S/C17H13BrO5/c1-21-13-8-9(18)7-11(16(13)22-2)17-15(20)14(19)10-5-3-4-6-12(10)23-17/h3-8,20H,1-2H3
InChIKeyFFRRIBXAXNNAMG-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.95
Rot. Bonds3

About 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one

2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one (PubChem CID 71735018) has the molecular formula C17H13BrO5 and a molecular weight of 377.19 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
PubChem CID71735018
Molecular FormulaC17H13BrO5
Molecular Weight377.19 g/mol
Exact Mass375.99
IUPAC Name2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
SMILESCOc1cc(Br)cc(-c2oc3ccccc3c(=O)c2O)c1OC
InChIInChI=1S/C17H13BrO5/c1-21-13-8-9(18)7-11(16(13)22-2)17-15(20)14(19)10-5-3-4-6-12(10)23-17/h3-8,20H,1-2H3
InChIKeyFFRRIBXAXNNAMG-UHFFFAOYSA-N
XLogP3.95
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
3-hydroxy-2-(9-oxofluoren-4-yl)chromen-4-one
CID 22239057
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
7-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573997
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one?
The IUPAC name of 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one (CID 71735018) is 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one.
What is the SMILES notation for 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one?
The canonical SMILES for 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one is COc1cc(Br)cc(-c2oc3ccccc3c(=O)c2O)c1OC.
What is the InChIKey of 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one?
The InChIKey is FFRRIBXAXNNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO5/c1-21-13-8-9(18)7-11(16(13)22-2)17-15(20)14(19)10-5-3-4-6-12(10)23-17/h3-8,20H,1-2H3.
What are the key properties of 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one?
2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one has a molecular weight of 377.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one is sourced from PubChem (CID 71735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).